Try beta.chemspider
1-Ethylaziridine
CCN1CC1
InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3
UJGVUACWGCQEAO-UHFFFAOYSA-N
CSID:132981, http://www.chemspider.com/Chemical-Structure.132981.html (accessed 22:40, Apr 23, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 62.17 (Adapted Stein & Brown method) Melting Pt (deg C): -60.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 181 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.051e+005 log Kow used: 0.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.5123e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aziridines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.14E-005 atm-m3/mole Group Method: 1.28E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.799E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.42 (KowWin est) Log Kaw used: -3.058 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.478 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5084 Biowin2 (Non-Linear Model) : 0.4442 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7872 (weeks ) Biowin4 (Primary Survey Model) : 3.4571 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5050 Biowin6 (MITI Non-Linear Model): 0.6352 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5324 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.37E+004 Pa (178 mm Hg) Log Koa (Koawin est ): 3.478 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.26E-010 Octanol/air (Koa) model: 7.38E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.57E-009 Mackay model : 1.01E-008 Octanol/air (Koa) model: 5.9E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.2808 E-12 cm3/molecule-sec Half-Life = 0.700 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.400 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.34E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35 Log Koc: 1.544 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.42 (estimated) Volatilization from Water: Henry LC: 1.28E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 39.44 hours (1.643 days) Half-Life from Model Lake : 500.9 hours (20.87 days) Removal In Wastewater Treatment: Total removal: 2.56 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.4 16.8 1000 Water 46.9 360 1000 Soil 50.7 720 1000 Sediment 0.0879 3.24e+003 0 Persistence Time: 324 hr
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